SCHEMBL4420904

SCHEMBL4420904

CNC(=O)N(C)C.O=C(O)Oc1nc2nc(Nc3ccc(F)cc3)ncc2cc1-c1ccccc1Br

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 2/20 0.37
ULK1 O75385 1/20 0.37
PRKAA2 P54646 1/20 0.37
PRKAA1 Q13131 1/20 0.37
ULK2 Q8IYT8 1/20 0.37
WEE1 P30291 1/20 0.36
PTK2 Q05397 3/20 0.36
CDK2 P24941 2/20 0.36
CDK9 P50750 2/20 0.36
GSK3B P49841 2/20 0.36
CDC7 O00311 1/20 0.36
DAPK3 O43293 1/20 0.36
PAK4 O96013 1/20 0.36
PIM1 P11309 1/20 0.36
FLT3 P36888 1/20 0.36
CDK5 Q00535 1/20 0.36
DYRK1A Q13627 1/20 0.36
MELK Q14680 1/20 0.36
MINK1 Q8N4C8 1/20 0.36
HIPK2 Q9H2X6 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4421886 0.87 GSK3B (0.38) BRAFWEE1PTK2CDK2CDK9
SCHEMBL4414654 0.83 PTK2 (0.37) BRAFULK1PRKAA2PRKAA1ULK2
SCHEMBL4411789 0.82 CDK2 (0.40) BRAFWEE1CDK2CDK9GSK3B
SCHEMBL4418433 0.81 CDK2 (0.47) BRAFPTK2CDK2CDK9CDC7
SCHEMBL4415084 0.81 MAPK10 (0.36) BRAFULK1PRKAA2PRKAA1ULK2
SCHEMBL4416330 0.81 CDK2 (0.45) BRAFULK1PRKAA2PRKAA1ULK2
SCHEMBL4410855 0.80 CCNT1 (0.42) BRAFWEE1PTK2CDK2CDK9
SCHEMBL4417977 0.80 MAPK1 (0.39) WEE1CDK2CDK9MAPK10CCNT1
SCHEMBL4411782 0.80 CDK2 (0.37) ULK1PRKAA2PRKAA1ULK2WEE1
SCHEMBL4410707 0.80 TBK1 (0.38) BRAFULK1PRKAA2PRKAA1ULK2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1615921-B1 PYRIDO 2,3-D PYRIMIDIN-7-CARBOXYLIC ACID DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS HOFFMANN LA ROCHE (CH) 2009-03-18 EP claimed